EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22N2O4 |
| Net Charge | 0 |
| Average Mass | 330.384 |
| Monoisotopic Mass | 330.15796 |
| SMILES | CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1c1ccccn1 |
| InChI | InChI=1S/C18H22N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-9-7-8-10-19-13/h7-10,14,16H,5-6H2,1-4H3 |
| InChIKey | AJLVNTLWHVMFEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-dimethyl-4-(2-pyridinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester (CHEBI:108245) is a dihydropyridine (CHEBI:50075) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19622 | LINCS |